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136829-88-4 | Neononaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester (9CI)
CAS No: 136829-88-4 Catalog No: AG0012EL MDL No:
Product Description
Catalog Number:
AG0012EL
Chemical Name:
Neononaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester (9CI)
CAS Number:
136829-88-4
Molecular Formula:
C17H34O3
Molecular Weight:
286.4501
IUPAC Name:
2,4,4-trimethylpentan-2-yl 6,6-dimethylheptaneperoxoate
InChI:
InChI=1S/C17H34O3/c1-15(2,3)12-10-9-11-14(18)19-20-17(7,8)13-16(4,5)6/h9-13H2,1-8H3
InChI Key:
QWBQEYPKFKTAQW-UHFFFAOYSA-N
SMILES:
O=C(OOC(CC(C)(C)C)(C)C)CCCCC(C)(C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.251g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.456g/mol
Monoisotopic Mass:
286.251g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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